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- PDB-7aa9: Structure of SCOC pT13/pT15 LIR motif bound to GABARAPL1 -

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Basic information

Entry
Database: PDB / ID: 7aa9
TitleStructure of SCOC pT13/pT15 LIR motif bound to GABARAPL1
Components
  • Gamma-aminobutyric acid receptor-associated protein-like 1
  • pT13/PT15 SCOC LIR
KeywordsSIGNALING PROTEIN / SCOC / ATG8 / LIR
Function / homology
Function and homology information


glycophagy / Tat protein binding / GABA receptor binding / phosphatidylethanolamine binding / cellular response to nitrogen starvation / autophagy of mitochondrion / Macroautophagy / beta-tubulin binding / autophagosome membrane / autophagosome maturation ...glycophagy / Tat protein binding / GABA receptor binding / phosphatidylethanolamine binding / cellular response to nitrogen starvation / autophagy of mitochondrion / Macroautophagy / beta-tubulin binding / autophagosome membrane / autophagosome maturation / autophagosome assembly / autophagosome / cytoplasmic vesicle membrane / phospholipid binding / microtubule / ubiquitin protein ligase binding / Golgi apparatus / endoplasmic reticulum / cytosol
Similarity search - Function
Autophagy protein Atg8 ubiquitin-like / Autophagy protein Atg8 ubiquitin like / Ubiquitin-like domain superfamily
Similarity search - Domain/homology
Gamma-aminobutyric acid receptor-associated protein-like 1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.72 Å
AuthorsLee, R. / Mouilleron, S. / Wirth, M. / Zhang, W. / O Reilly, N. / Dhira, J. / Tooze, S.
CitationJournal: J.Mol.Biol. / Year: 2021
Title: Phosphorylation of the LIR Domain of SCOC Modulates ATG8 Binding Affinity and Specificity.
Authors: Wirth, M. / Mouilleron, S. / Zhang, W. / Sjottem, E. / Princely Abudu, Y. / Jain, A. / Lauritz Olsvik, H. / Bruun, J.A. / Razi, M. / Jefferies, H.B.J. / Lee, R. / Joshi, D. / O'Reilly, N. / ...Authors: Wirth, M. / Mouilleron, S. / Zhang, W. / Sjottem, E. / Princely Abudu, Y. / Jain, A. / Lauritz Olsvik, H. / Bruun, J.A. / Razi, M. / Jefferies, H.B.J. / Lee, R. / Joshi, D. / O'Reilly, N. / Johansen, T. / Tooze, S.A.
History
DepositionSep 3, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 16, 2021Provider: repository / Type: Initial release
Revision 1.1Jan 18, 2023Group: Database references / Category: citation / citation_author / database_2
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.2Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.3Oct 23, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Gamma-aminobutyric acid receptor-associated protein-like 1
B: pT13/PT15 SCOC LIR
C: Gamma-aminobutyric acid receptor-associated protein-like 1
D: pT13/PT15 SCOC LIR
E: Gamma-aminobutyric acid receptor-associated protein-like 1
F: pT13/PT15 SCOC LIR
G: Gamma-aminobutyric acid receptor-associated protein-like 1
H: pT13/PT15 SCOC LIR
I: Gamma-aminobutyric acid receptor-associated protein-like 1
J: pT13/PT15 SCOC LIR
K: Gamma-aminobutyric acid receptor-associated protein-like 1
L: pT13/PT15 SCOC LIR


Theoretical massNumber of molelcules
Total (without water)96,42612
Polymers96,42612
Non-polymers00
Water13,385743
1
A: Gamma-aminobutyric acid receptor-associated protein-like 1
B: pT13/PT15 SCOC LIR


Theoretical massNumber of molelcules
Total (without water)16,0712
Polymers16,0712
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1210 Å2
ΔGint-8 kcal/mol
Surface area7080 Å2
MethodPISA
2
C: Gamma-aminobutyric acid receptor-associated protein-like 1
D: pT13/PT15 SCOC LIR


Theoretical massNumber of molelcules
Total (without water)16,0712
Polymers16,0712
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1170 Å2
ΔGint-8 kcal/mol
Surface area7160 Å2
MethodPISA
3
E: Gamma-aminobutyric acid receptor-associated protein-like 1
F: pT13/PT15 SCOC LIR


Theoretical massNumber of molelcules
Total (without water)16,0712
Polymers16,0712
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1220 Å2
ΔGint-7 kcal/mol
Surface area7110 Å2
MethodPISA
4
G: Gamma-aminobutyric acid receptor-associated protein-like 1
H: pT13/PT15 SCOC LIR


Theoretical massNumber of molelcules
Total (without water)16,0712
Polymers16,0712
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1130 Å2
ΔGint-8 kcal/mol
Surface area7040 Å2
MethodPISA
5
I: Gamma-aminobutyric acid receptor-associated protein-like 1
J: pT13/PT15 SCOC LIR


Theoretical massNumber of molelcules
Total (without water)16,0712
Polymers16,0712
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1180 Å2
ΔGint-8 kcal/mol
Surface area7070 Å2
MethodPISA
6
K: Gamma-aminobutyric acid receptor-associated protein-like 1
L: pT13/PT15 SCOC LIR


Theoretical massNumber of molelcules
Total (without water)16,0712
Polymers16,0712
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1240 Å2
ΔGint-8 kcal/mol
Surface area7080 Å2
MethodPISA
Unit cell
Length a, b, c (Å)90.944, 90.944, 92.407
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number145
Space group name H-MP32
Space group name HallP32
Symmetry operation#1: x,y,z
#2: -y,x-y,z+2/3
#3: -x+y,-x,z+1/3

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Components

#1: Protein
Gamma-aminobutyric acid receptor-associated protein-like 1 / Early estrogen-regulated protein / GABA(A) receptor-associated protein-like 1 / Glandular ...Early estrogen-regulated protein / GABA(A) receptor-associated protein-like 1 / Glandular epithelial cell protein 1 / GEC-1


Mass: 14598.667 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: GABARAPL1, GEC1 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9H0R8
#2: Protein/peptide
pT13/PT15 SCOC LIR


Mass: 1472.298 Da / Num. of mol.: 6 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human)
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 743 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.42 Å3/Da / Density % sol: 49.24 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / Details: 20% PEG 1500 0.1M TRIS 8

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.97 Å
DetectorType: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Apr 19, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97 Å / Relative weight: 1
ReflectionResolution: 1.72→59.94 Å / Num. obs: 90238 / % possible obs: 99.17 % / Redundancy: 3.9 % / Biso Wilson estimate: 17.27 Å2 / CC1/2: 0.99 / Rmerge(I) obs: 0.09 / Rpim(I) all: 0.05 / Net I/σ(I): 7.55
Reflection shellResolution: 1.72→1.78 Å / Rmerge(I) obs: 0.8 / Mean I/σ(I) obs: 1.15 / Num. unique obs: 8924 / CC1/2: 0.57 / Rpim(I) all: 0.54

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Processing

Software
NameVersionClassification
PHENIX1.18.2_3874refinement
PHENIX1.18.2_3874refinement
xia2data reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6HOI
Resolution: 1.72→59.94 Å / SU ML: 0.3086 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 30.3458
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2614 4406 4.89 %
Rwork0.2096 85650 -
obs0.212 90056 99.17 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 25.35 Å2
Refinement stepCycle: LAST / Resolution: 1.72→59.94 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6263 0 0 743 7006
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00166637
X-RAY DIFFRACTIONf_angle_d0.45929068
X-RAY DIFFRACTIONf_chiral_restr0.0438944
X-RAY DIFFRACTIONf_plane_restr0.00381177
X-RAY DIFFRACTIONf_dihedral_angle_d21.97672504
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.72-1.740.37011240.36992797X-RAY DIFFRACTION97.04
1.74-1.760.40481610.36412780X-RAY DIFFRACTION96.81
1.76-1.780.3991520.35672811X-RAY DIFFRACTION97.08
1.78-1.80.40221780.34742741X-RAY DIFFRACTION97.14
1.8-1.830.38271700.31612778X-RAY DIFFRACTION96.53
1.83-1.850.37151670.31972728X-RAY DIFFRACTION94.45
1.85-1.880.36261520.29782777X-RAY DIFFRACTION99.19
1.88-1.910.30281180.29882951X-RAY DIFFRACTION99.68
1.91-1.940.35141580.28122834X-RAY DIFFRACTION99.6
1.94-1.970.35261140.25712921X-RAY DIFFRACTION99.84
1.97-20.31161920.25532788X-RAY DIFFRACTION99.8
2-2.040.25291320.25012884X-RAY DIFFRACTION99.77
2.04-2.080.29721380.24872911X-RAY DIFFRACTION99.93
2.08-2.120.31851720.24722868X-RAY DIFFRACTION99.93
2.12-2.170.28751920.2282850X-RAY DIFFRACTION99.87
2.17-2.220.271480.21762853X-RAY DIFFRACTION99.97
2.22-2.270.2711600.20752864X-RAY DIFFRACTION99.97
2.27-2.330.25131780.20832856X-RAY DIFFRACTION100
2.33-2.40.26051280.20832900X-RAY DIFFRACTION100
2.4-2.480.24391440.21242856X-RAY DIFFRACTION99.97
2.48-2.570.25471760.20692841X-RAY DIFFRACTION100
2.57-2.670.26731220.20242919X-RAY DIFFRACTION100
2.67-2.790.24251260.20012878X-RAY DIFFRACTION99.93
2.79-2.940.2714980.20092969X-RAY DIFFRACTION99.97
2.94-3.130.25361510.18772850X-RAY DIFFRACTION99.87
3.13-3.370.251500.17062875X-RAY DIFFRACTION100
3.37-3.70.19631400.16482892X-RAY DIFFRACTION100
3.71-4.240.19731110.14692891X-RAY DIFFRACTION99.8
4.24-5.340.17111340.14732895X-RAY DIFFRACTION99.7
5.34-59.940.19541200.18522892X-RAY DIFFRACTION99.47
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
15.93988968936-2.440090107220.6624872144693.22843210781.710793247255.07090676609-0.0903849133872-0.6847499471780.2078790458630.5549370283610.1764425793340.2187909935480.2802827736180.106007248342-0.01553613952770.2182283486040.0721722607174-0.01745223538620.345458252742-0.05551641556320.157440416483-18.792286019269.59028223893.50376371859
24.180702876340.174858129104-4.312544756920.0159207995471-0.2303905596834.698730530230.2062222335710.3479822684670.687905816727-0.0673240159162-0.0109924653839-0.0241441864652-0.228348922264-0.104796750582-0.02190993267150.1082757815260.0297419425114-0.005584693510.145875485740.04041539286980.274986354066-20.926601007273.6858734306-9.05751940308
31.25008665792-0.430750233130.543658546831.76521124327-0.698497194522.50028801727-0.0886276799408-0.1228041550980.06889116804290.1591197213950.08112785139850.00485547021184-0.3996567161630.104686918357-0.0004616657390320.131687152987-0.002544550455880.003706264616520.1096301334190.001351833766080.118220175159-8.2217022135766.8050948849-3.74468491451
42.715492470841.101732610272.158966534411.494610339862.134489501936.18345058459-0.0979991729191-0.17806979456-0.08728801764710.265372194434-0.0581063073860.04070225982430.1831641414660.3339246443570.1027324607860.1229005732640.03268068954980.0238670223640.1456909585050.01253560172410.09557727254490.031521877460562.2261401965-3.83205874193
50.956086141389-0.4923023834610.4342893092161.73006980798-0.1388055268152.22002478657-0.0374011178023-0.02080189272250.08925959584360.165227454157-0.00313861015811-0.1986633768980.0007104810038250.07859753540430.04966373788010.1427020013310.0196101681171-0.00186556486410.1176282819940.007536897476820.174088971114-3.9608531728956.6428741548-0.232787645001
65.37534144319-0.909803790312-2.225297566445.263835821011.990807248564.29375053203-0.001456989255620.277641956127-0.155628888623-0.131155155897-0.1304624750750.1718142243370.151834280064-0.2743351500260.1087558323740.1047283353620.0006509469880660.002397463929210.1161514930540.01052999090150.106213029836-17.578547828162.0907949676-10.2742794162
71.79048813007-1.698222009631.832701652662.05075501884-1.800104174561.88003970656-0.0176063145422-0.274070353406-0.1546374287930.3095687975360.1017499142190.184363578031-0.0714705470579-0.13112811469-0.1782333946640.1697369386710.04197535524130.02493627375140.151150139970.03856636439530.126669337234-10.252826393257.69017887314.30698417166
87.58980172714-4.98747027745-1.945536573256.560836032882.119044377492.53138912869-0.0146376437522-0.5190207521930.766388096566-0.00505472139860.226737207956-0.234648917595-0.3981840926480.269490442087-0.1204280177150.236377294935-0.0497352398236-0.01942880477130.162263972072-0.03873478035820.24753027611-4.3506233991272.8636673298-8.10295713532
90.5878152538811.39500632383-1.044062796774.58742138357-1.775420760852.96819978580.0253903776285-0.142013155414-0.2487720151990.268315203633-0.105237192512-0.34371102248-0.1954320627840.2511648198760.08240733987620.449619396798-0.01199976447120.02598854631980.08111774256430.06466971997430.147318710823-3.1421389123280.5372479122-21.7811552143
102.22221092359-1.616301002922.396821291294.21736064053-3.541804513646.68357593326-0.08693465552850.127808159323-0.275524849342-0.5239658621720.07566515740010.4077030829370.0207757944757-0.1716712031440.1533096835060.3057136110740.00679586661286-0.0575147295460.156010939302-0.02885127229850.231994754704-7.1415098241976.2045014125-34.4643417477
111.51976174870.0242027107339-0.1014443003192.012103626541.858507691514.03583551283-0.0462174163191-0.220162442906-0.1557064060630.0587185965859-0.1727029137070.196597552931-0.00936099985097-0.5885907546240.1397813024160.247840379775-0.0250939566429-0.03592726862050.1770887598650.01291673227530.131531580105-7.5896456171790.1230401114-25.4268138169
121.93718198084-0.19247860638-0.5185637102572.094366318420.06942786972242.421052662050.0435489130261-0.211535885294-0.1125297795510.13304101845-0.05265784036690.04730591881580.04063470086210.0440622241260.009745650703960.14485531531-0.00503851757577-0.01691513778630.1502804844330.02860138769610.10879130777-7.8807689096796.9213275638-31.9276273242
131.152808955670.625585104296-0.2000691740482.027073030980.4891174791972.82726909240.166660312915-0.1564283210860.164214382373-0.0160425773143-0.2073456025730.0703396669793-0.14657453781-0.09986894068950.07132160147150.127573315413-0.0194987473299-0.01644428921890.130668154938-0.02500802809310.140680618195-0.74877630727999.6550667923-25.7845013902
143.42988397232-0.2913673689770.1377994790615.98729264582-0.9135058434771.84695418258-0.003056550195620.175540047735-0.0821070217009-0.352693609245-0.057062677867-0.3869310925320.228300361340.1726236464570.05977386130690.1951067150720.02627630141130.006074753546540.114769682745-0.007938623164360.1115424309090.82895928629885.0331344728-35.6500471712
150.6028060131190.6840054476730.3975280291612.413990220141.997709121451.819438762640.0834867726365-0.02858493796340.02403907969270.3332409527160.0381084667711-0.1776880562560.1845802207530.31157843817-0.1375712929390.208630372124-0.00124237730711-0.0520526243960.1451382710590.01392432471260.1308249895581.155999448793.7029479904-21.1750853041
160.9432366516932.2164146582-1.370241456556.27491753621-3.602824601982.335506033620.19567381391-0.263846184976-0.1992565843760.2667696222280.1736932597140.7506471828130.166550530817-0.466385468329-0.3045992436670.285571449736-0.0649550132542-0.02725578911160.2763520382190.1145408638370.357873756516-15.467821650990.5934727765-33.1866683755
176.543012268783.587608482451.000547039414.48761668675-0.07355745382243.20109793711-0.1442634530010.8194010903480.0506674772214-0.4878606531130.403351643389-0.243775220819-0.0565731758319-0.107764327182-0.1908056437630.117333389593-0.0166174322080.00311067003850.377102631609-0.001352509613450.14091231522621.116107717766.8804724404-33.5705811311
180.9763462756180.3274911915890.2370965000850.7867362729690.1103107175320.6518258062290.0202670253155-0.4193461705710.4181596899040.103776414515-0.123029860584-0.132981591406-0.0799813463067-0.0436868106473-0.183610573920.0212680084698-0.181174327777-0.008002786908450.411375170994-0.08762476287780.28890836254223.400185771670.7759260235-20.7703953966
192.256002463570.6844565277971.570116189831.537563625750.1411630274642.78531360267-0.109073367091-0.06971077284640.306348489915-0.105839839541-0.1572863995560.0624219844262-0.356706720286-0.07599065702770.2465364769450.124532206867-0.01774048615230.01396476344640.191161980395-0.04258372094440.13760672668310.229158577665.8308705763-29.871132098
201.585380123990.189403109668-0.5598728891971.43524167354-0.09628320533861.4330105086-0.0116416224604-0.135109942279-0.05279765010950.01723041518-0.0418072910887-0.0193124126819-0.04098598503650.08231334949480.03357455235010.0937050877811-0.01383506863170.007598522576450.139648290051-0.003150909737430.1106151844618.7557157762659.4276525726-25.3251613428
210.9860653350970.717340015905-1.322794784272.37212579357-1.557658592192.07273281706-0.05012044751910.22086740054-0.27153960271-0.169055308322-0.236850773422-0.8646340179090.06311591737060.916348447330.1309665169680.205620213721-0.003352359715820.03486116207180.283476667127-0.01885706938820.2771324501679.37614132552.1319600234-38.4648074452
227.604885636983.09783850978-2.834801239533.11167529401-1.470558932032.46506421931-0.1681862730430.2290222970650.717213107527-0.1898222640790.197546115469-0.0439884957835-0.229063997569-0.0660542509249-0.08070689092730.216108083-0.01125081061460.02786769785330.1879998148780.03339177399420.2505187090576.1498840034572.3211685248-22.19688355
230.6045829197630.270564558424-1.289329562277.022362192640.4982954570842.911390440980.02837060447250.480798672337-0.692636708996-0.3552290882340.222481988303-0.02971708119890.2522359762150.0459098535843-0.1503059574470.280131311369-0.0149160593081-0.02717362088080.261718484534-0.1292096926720.3556077622772.8817887648779.57449169792.4522672358
241.832914478712.179908316292.924987778913.308467558893.518327098175.399615218110.0631992047589-0.0133254024973-0.7565340300530.07351666106220.177495721896-0.3078796839580.3019184581360.0369046831092-0.04129384044850.187728785075-0.00591673334086-0.03160481166840.133744092914-0.01193788877210.5157396897285.5075867653175.59425646215.665328912
251.92096895355-0.3993546684670.3138183448821.88110897111-0.2981102535071.048013122950.0464541307134-0.0150088624881-0.16107463562-0.01326488056910.0811049475032-0.1106501955730.1338326423270.0414495355519-0.04198531867110.08189598177980.0297407554487-0.04439897632740.11544894465-0.02290226633240.1716336383716.8292053375186.815783315914.427313771
260.716211578476-0.149213625890.6395613546720.870056648303-1.045796415173.090041276780.05147210194250.159585739522-0.139206018911-0.183240742962-0.0132219415278-0.006106426418020.1767155227130.193356627651-0.02605485494740.14997104687-0.00116204753228-0.02946880221870.169839808973-0.01915929095630.1674537996937.2749968493591.69647365136.88008619751
273.570203889740.203585388122-2.131352978541.44836316273-0.004284920434744.157474295240.009042735098140.231137317095-0.129238741936-0.255528199998-0.21943905968-0.0430800348762-0.3779878308130.05134180658480.1266009470410.1362826230450.00438022893175-0.04052773162140.156203247583-0.02270199733880.1007207613737.4344043758699.31486257069.64059075627
280.915726388971-0.405576989342-0.2075184629821.81485117754-0.3037926311232.921101849750.0769895542070.116520767453-0.0383552886614-0.0545001997251-0.0338574390335-0.138444367581-0.0558890452767-0.105385741351-0.03072301532890.107797943710.0186435744958-0.03592777670360.150878025638-0.02140724576510.1895732045620.17704741767198.85649187526.72063942151
297.8594231491-1.079817343290.7444958396668.414799316250.6293815341331.37855277887-0.15910251659-0.0832420036993-0.150125813951-0.02509965417980.01091271661170.350754031610.168077451287-0.4481887880040.09718792239290.105394531518-0.0113018161229-0.04804498394020.1760325785770.01905632559360.156274672423-2.9958832249489.098806575818.2243007677
308.821108939671.77665801021-0.8633881864614.259605917992.393495950352.04827148089-0.0802111671448-0.0160584592828-0.7283139940350.160535604377-0.03408330988180.2658470058650.4662554880550.01959559603370.0903523518390.191416474836-0.0717711707618-0.04125598679130.1663086884790.006157607677110.290808119629-0.93590056985479.883338741514.1785211359
310.724753462033-0.390410678752-0.3850225965013.23029898113-1.686677221591.631119128870.1259225274020.31423365511-0.259248891382-0.3854700391140.05310318977220.2935546428760.104553350732-0.0735693640279-0.2212814001750.1680865662540.000132036560457-0.05335551653680.211275449846-0.03588428706340.165533688092-1.6573772955193.47689072081.61871769392
322.150434067220.2054841455950.2339845485731.664247243381.882057439234.70282250532-0.02426112299590.365508686486-0.266016064275-0.2531026456440.213955040121-0.7171343835330.09762544056190.709411533705-0.159783143730.134926789247-0.007650609949170.008208062881720.269350925907-0.06730725028320.29177198336414.709052185389.176701605613.4974855808
336.377306802173.748169820910.3171424310215.74256172579-1.605822538724.81940692088-0.08015623714750.180255259749-0.226661966774-0.4648894522610.163525216482-0.3345608914770.2588960204640.0302411116645-0.05129477425040.15382657094-0.02756742180980.021261057730.206661474758-0.0009922908728910.128213504642-25.995351293395.5931339492-34.7702412345
341.723143649530.905457697990.3103818462211.708995482430.2215045757781.027935631720.157177638209-0.3473484581850.1261912344140.159409708223-0.0937156678703-0.0924471913036-0.09964907293610.212743430885-0.02225543587480.123948524195-0.06906928312920.01991746020.189677131269-0.04304558282050.145624790904-29.467784884297.6658190541-22.7260329063
350.83406045773-0.03713606695910.5451126023470.658472942793-0.001003315276212.057352966670.003646739849560.08771191262050.0753301672844-0.051233220897-0.039035506605-0.01659174430260.05439333218170.1295583514620.03341642387880.118290746904-0.0135074809990.02286863789950.118388075895-0.005594138595190.0982637243985-41.319625488490.2203910882-30.3844726152
360.801786450929-0.1695771357280.520851228072.01587041094-0.4409107136582.34195671253-0.00562457294133-0.0428937490044-0.0559641335388-0.2571305938170.04076122510470.008654689824470.0660527560534-0.081038928509-0.05228552664960.122145288109-0.03652825049860.01103291978530.107088345198-0.02643996614370.136171074896-40.922466329282.1642924337-31.7013193723
374.19711974653-0.237887889606-0.9960450403432.94811118912-0.3847519326561.61414323668-0.0839977651572-0.397094951818-0.1166872165360.250384158099-0.131678972035-0.3098343648260.06655674154870.4264266995160.09865595265470.0888784265144-0.0283129291521-0.03341033413420.186711673260.00218437050080.117567943355-28.52178108788.4878908644-21.3146849143
383.405249194112.888645237673.018499799233.391916804122.10027113182.92509492405-0.04005097996390.472017107188-0.450690989237-0.3769729176940.297244117266-0.5585481430710.1698165932270.483454001992-0.2514271898040.155066148973-0.02711939058260.05078175415650.141976871798-0.03662543117130.168538898397-34.963836135683.9467561907-35.5248811498
396.991264206920.825532817728-3.035830712424.44135431182-2.891865110966.95486856220.148221712044-0.04343018023690.3571633754660.150582571713-0.08717338995660.172209258676-0.5908007370060.139991404405-0.1542372489440.174558532345-0.01328135590810.004414995935370.1436000964070.01196179548960.132080896519-40.947617552399.5226428212-24.5593058181
402.42790010897-0.6713019293770.6929869970371.294201714270.1422845845261.295673678780.083654385185-0.1240112406050.2406240239020.167454645466-0.003603213399310.431375328823-0.251841438326-0.123594489908-0.07417809805150.217856211770.0516173705250.07759485078230.1470164459070.003714666375090.28402508648326.007430825195.2562488992-8.02174368654
411.24825907837-0.0001607902957920.5517243558791.28882483335-0.3851107155411.66892880735-0.0135610309129-0.0486728036110.03626720889370.147438233601-0.04263796382560.1372865503630.0426949064724-0.0473851073920.0463159614420.1416834716410.008827935305470.03794137161580.0744215972035-0.006629045214250.11635379151136.521217214886.1446337982-4.12386917582
423.28785684351-1.84732262469-1.473835810135.017944109032.082088661932.95419420467-0.0300913261356-0.1231321981120.584195126144-0.1992970017080.263527452499-0.0169737429773-0.7287968703420.404011428375-0.1772752470240.263600904477-0.03538005596960.05715615254560.235794048145-0.001067955402730.20270587404339.001299054498.9619748638-10.0157299782
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 1 through 10 )AA1 - 101 - 10
22chain 'A' and (resid 11 through 24 )AA11 - 2411 - 24
33chain 'A' and (resid 25 through 56 )AA25 - 5625 - 60
44chain 'A' and (resid 57 through 68 )AA57 - 6861 - 72
55chain 'A' and (resid 69 through 90 )AA69 - 9073 - 100
66chain 'A' and (resid 91 through 104 )AA91 - 104101 - 116
77chain 'A' and (resid 105 through 117 )AA105 - 117117 - 129
88chain 'B' and (resid 12 through 20 )BB12 - 201 - 9
99chain 'C' and (resid 0 through 10 )CC0 - 101 - 11
1010chain 'C' and (resid 11 through 24 )CC11 - 2412 - 27
1111chain 'C' and (resid 25 through 47 )CC25 - 4728 - 50
1212chain 'C' and (resid 48 through 68 )CC48 - 6851 - 75
1313chain 'C' and (resid 69 through 90 )CC69 - 9076 - 101
1414chain 'C' and (resid 91 through 104 )CC91 - 104102 - 115
1515chain 'C' and (resid 105 through 117 )CC105 - 117116 - 128
1616chain 'D' and (resid 12 through 21 )DD12 - 211 - 10
1717chain 'E' and (resid 1 through 10 )EE1 - 101 - 10
1818chain 'E' and (resid 11 through 24 )EE11 - 2411 - 24
1919chain 'E' and (resid 25 through 47 )EE25 - 4725 - 47
2020chain 'E' and (resid 48 through 110 )EE48 - 11048 - 120
2121chain 'E' and (resid 111 through 117 )EE111 - 117121 - 127
2222chain 'F' and (resid 12 through 21 )FF12 - 211 - 11
2323chain 'G' and (resid 1 through 10 )GG1 - 101 - 10
2424chain 'G' and (resid 11 through 24 )GG11 - 2411 - 24
2525chain 'G' and (resid 25 through 35 )GG25 - 3525 - 35
2626chain 'G' and (resid 36 through 56 )GG36 - 5636 - 58
2727chain 'G' and (resid 57 through 68 )GG57 - 6859 - 72
2828chain 'G' and (resid 69 through 90 )GG69 - 9073 - 98
2929chain 'G' and (resid 91 through 98 )GG91 - 9899 - 106
3030chain 'G' and (resid 99 through 104 )GG99 - 104107 - 112
3131chain 'G' and (resid 105 through 117 )GG105 - 117113 - 125
3232chain 'H' and (resid 12 through 20 )HH12 - 201 - 9
3333chain 'I' and (resid 1 through 10 )II1 - 101 - 10
3434chain 'I' and (resid 11 through 35 )II11 - 3511 - 35
3535chain 'I' and (resid 36 through 67 )II36 - 6736 - 71
3636chain 'I' and (resid 68 through 90 )II68 - 9072 - 96
3737chain 'I' and (resid 91 through 104 )II91 - 10497 - 110
3838chain 'I' and (resid 105 through 115 )II105 - 115111 - 121
3939chain 'J' and (resid 12 through 20 )JJ12 - 201 - 9
4040chain 'K' and (resid 1 through 35 )KK1 - 351 - 35
4141chain 'K' and (resid 36 through 117 )KK36 - 11736 - 127
4242chain 'L' and (resid 12 through 21 )LL12 - 211 - 10

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